1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol

C10H16N2O3 — CID 171857750

IUPAC1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(N)c1O
InChIInChI=1S/C10H16N2O3/c1-12-5-8(13)10(15)6-3-2-4-7(11)9(6)14/h2-4,8,10,12-15H,5,11H2,1H3
InChIKeyFGFWVYJLPIWXPH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.41
Rot. Bonds4

About 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol

1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857750) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857750
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(N)c1O
InChIInChI=1S/C10H16N2O3/c1-12-5-8(13)10(15)6-3-2-4-7(11)9(6)14/h2-4,8,10,12-15H,5,11H2,1H3
InChIKeyFGFWVYJLPIWXPH-UHFFFAOYSA-N
XLogP-0.41
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859236
2-amino-6-[1,2-dihydroxy-3-(methylamino)propyl]benzonitrile
CID 171857933
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
2-amino-6-butan-2-ylphenol
CID 14993637
5-[1,2-dihydroxy-3-(methylamino)propyl]naphthalene-1-carboxylic acid
CID 171858908
3-[1,2-dihydroxy-3-(methylamino)propyl]-2-fluorobenzoic acid
CID 171858209
1-(3-fluoro-2-nitrophenyl)-3-(methylamino)propane-1,2-diol
CID 171858387
2-[1,2-dihydroxy-3-(methylamino)propyl]-6-methoxybenzoic acid
CID 171858557
1-(1H-benzimidazol-4-yl)-3-(methylamino)propane-1,2-diol
CID 171858106

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol (CID 171857750) is 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cccc(N)c1O.
What is the InChIKey of 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is FGFWVYJLPIWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-5-8(13)10(15)6-3-2-4-7(11)9(6)14/h2-4,8,10,12-15H,5,11H2,1H3.
What are the key properties of 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol?
1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxyphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).